3-chloranyl-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 3-chloranyl-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 3-chloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 3-chloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 3-chloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-chloro-4-(5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid Formula: C10H9ClN2O4S MolecularWeight: 288.70746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)Cl

InChI

InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-3-2-7(5-8(9)11)18(15,16)17/h2-3,5H,4H2,1H3,(H,15,16,17)